-ISIS- 10201511232D 30 32 0 0 0 0 0 0 0 0999 V2000 5.5583 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5583 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3458 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1417 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -4.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -8.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1417 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -9.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7208 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7208 -8.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9292 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5083 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -10.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -10.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5083 -9.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9333 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0000 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -6.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2083 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -7.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 1 0 0 0 3 9 1 1 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 14 16 1 1 0 0 0 12 17 1 1 0 0 0 17 18 1 0 0 0 0 15 19 1 6 0 0 0 13 20 1 6 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 2 1 0 0 0 0 26 29 1 0 0 0 0 28 30 1 1 0 0 0 M END > CFN98161 > Morroniside > 25406-64-8 > 98% > C17H26O11 > 406.38 > White powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Morroniside-CFN98161.html $$$$ -ISIS- 10201511232D 28 29 0 0 0 0 0 0 0 0999 V2000 7.1958 -5.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8167 -6.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -8.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -8.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5750 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -9.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -9.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0125 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -10.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -8.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -4.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 9 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 6 0 0 0 21 24 1 1 0 0 0 20 25 1 6 0 0 0 19 26 1 1 0 0 0 26 27 1 0 0 0 0 1 28 1 1 0 0 0 M END > CFN99838 > Oleoside > 178600-68-5 > 98% > C16H22O11 > 390.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Oleoside-CFN99838.html $$$$ -ISIS- 10201511232D 30 31 0 0 0 0 0 0 0 0999 V2000 7.1958 -5.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -6.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0125 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8167 -6.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -8.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -8.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5750 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -9.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -9.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0125 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -10.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -8.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -4.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -7.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 9 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 6 0 0 0 21 24 1 1 0 0 0 20 25 1 6 0 0 0 19 26 1 1 0 0 0 26 27 1 0 0 0 0 1 28 1 1 0 0 0 2 29 1 1 0 0 0 16 30 1 0 0 0 0 M END > CFN98996 > Secoxyloganin > 58822-47-2 > 98% > C17H24O11 > 404.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Secoxyloganin-CFN98996.html $$$$ -ISIS- 10201511232D 31 32 0 0 0 0 0 0 0 0999 V2000 7.1958 -5.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -6.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0125 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8167 -6.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -8.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -8.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5750 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -9.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -9.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0125 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -10.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -8.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -4.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -7.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 9 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 6 0 0 0 21 24 1 1 0 0 0 20 25 1 6 0 0 0 19 26 1 1 0 0 0 26 27 1 0 0 0 0 1 28 1 1 0 0 0 2 29 1 1 0 0 0 16 30 1 0 0 0 0 12 31 1 0 0 0 0 M END > CFN97229 > Secoxyloganin methyl ester > 74713-15-8 > 98% > C18H26O11 > 418.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Secoxyloganin-methyl-ester-CFN97229.html $$$$ -ISIS- 10201511232D 32 33 0 0 0 0 0 0 0 0999 V2000 7.1958 -5.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -6.4958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0125 -6.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8167 -6.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -5.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7667 -5.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -8.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -7.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -8.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5750 -9.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3875 -9.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1958 -9.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0125 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -10.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -9.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -8.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -4.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -7.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 -4.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -5.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 6 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 9 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 6 0 0 0 21 24 1 1 0 0 0 20 25 1 6 0 0 0 19 26 1 1 0 0 0 26 27 1 0 0 0 0 1 28 1 1 0 0 0 2 29 1 1 0 0 0 16 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 M END > CFN97683 > Secologanin dimethyl acetal > 77988-07-9 > 98% > C19H30O11 > 434.44 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Secologanin-dimethyl-acetal-CFN97683.html $$$$ -ISIS- 10201511232D 40 42 0 0 0 0 0 0 0 0999 V2000 9.7083 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -6.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5000 -6.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2875 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -8.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -8.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1292 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5000 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -10.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0833 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -7.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 -4.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -4.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 6 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 27 28 1 0 0 0 0 1 29 1 1 0 0 0 17 30 1 0 0 0 0 2 31 1 1 0 0 0 13 32 2 0 0 0 0 14 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 14 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 M END > CFN98159 > Cornuside > 131189-57-6 > 98% > C24H30O14 > 542.49 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Cornuside-CFN98159.html $$$$ -ISIS- 10201511232D 40 42 0 0 0 0 0 0 0 0999 V2000 9.7083 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -6.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5000 -6.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2875 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -8.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -8.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1292 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5000 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -10.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -7.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -5.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 6 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 27 28 1 0 0 0 0 1 29 1 1 0 0 0 2 30 1 1 0 0 0 13 31 2 0 0 0 0 14 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 M END > CFN97045 > Grandifloroside > 61186-24-1 > 98% > C25H30O13 > 538.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Grandifloroside-CFN97045.html $$$$ -ISIS- 10201511232D 38 40 0 0 0 0 0 0 0 0999 V2000 9.7083 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -6.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2875 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -6.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -6.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -8.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -8.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1292 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5000 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -10.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0833 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 11 22 2 0 0 0 0 6 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 9 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 6 0 0 0 30 33 1 1 0 0 0 29 34 1 6 0 0 0 28 35 1 1 0 0 0 35 36 1 0 0 0 0 1 37 1 1 0 0 0 25 38 1 0 0 0 0 M END > CFN98484 > Ligustroside > 35897-92-8 > 98% > C25H32O12 > 524.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Ligustroside-CFN98484.html $$$$ -ISIS- 10201511232D 39 41 0 0 0 0 0 0 0 0999 V2000 9.7083 -5.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -6.8667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2875 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -6.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -6.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -8.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -7.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -8.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1292 -9.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9208 -9.6083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7083 -9.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5000 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -10.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -9.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7083 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0833 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 11 22 2 0 0 0 0 6 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 9 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 6 0 0 0 30 33 1 1 0 0 0 29 34 1 6 0 0 0 28 35 1 1 0 0 0 35 36 1 0 0 0 0 1 37 1 1 0 0 0 25 38 1 0 0 0 0 17 39 1 0 0 0 0 M END > CFN98416 > Oleuropein > 32619-42-4 > 98% > C25H32O13 > 540.5 > Oil > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Oleuropein-CFN98416.html $$$$ -ISIS- 10201511232D 39 42 0 0 0 0 0 0 0 0999 V2000 9.1833 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1833 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -6.8708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7667 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1458 -6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9750 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7667 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -8.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3958 -7.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -8.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6000 -9.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3958 -9.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1833 -9.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9750 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -10.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1833 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5625 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -6.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2417 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -6.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -6.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -6.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 6 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 1 28 1 1 0 0 0 17 29 1 0 0 0 0 13 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 31 1 0 0 0 0 34 37 1 0 0 0 0 33 38 1 0 0 0 0 39 27 1 0 0 0 0 30 39 1 6 0 0 0 M END > CFN98417 > Fraxamoside > 326594-34-7 > 98% > C25H30O13 > 538.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Fraxamoside-CFN98417.html $$$$ -ISIS- 10201511232D 49 52 0 0 0 0 0 0 0 0999 V2000 8.9000 -3.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9000 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -4.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4875 -4.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8583 -4.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 -1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -6.3542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1083 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -6.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3167 -7.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1083 -7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9000 -7.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6917 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -7.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -2.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2833 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -3.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9375 -2.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1417 -1.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3458 -2.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3458 -3.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1417 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -4.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 -4.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 -5.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 -7.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -7.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 -8.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 6 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 27 28 1 0 0 0 0 1 29 1 1 0 0 0 17 30 1 0 0 0 0 31 13 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 35 37 1 1 0 0 0 34 38 1 6 0 0 0 33 39 1 1 0 0 0 32 40 1 6 0 0 0 37 41 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 43 1 0 0 0 0 46 49 1 0 0 0 0 M END > CFN98623 > Nuezhenide > 39011-92-2 > 98% > C31H42O17 > 686.7 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Nuezhenide-CFN98623.html $$$$ -ISIS- 10201511232D 77 82 0 0 0 0 0 0 0 0999 V2000 12.4958 -6.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4958 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -7.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9208 -6.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9208 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 -5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -8.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6708 -6.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4958 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9208 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4958 -8.5250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7917 -8.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0792 -8.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0792 -9.3500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7917 -9.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4958 -9.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2083 -9.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7917 -10.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -9.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 -8.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -8.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4958 -5.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6292 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -5.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9542 -4.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2417 -4.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5333 -4.8458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5333 -5.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2417 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2417 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 -4.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -4.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9958 -4.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -6.0708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7000 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -5.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -3.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -6.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -7.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5792 -6.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -7.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8708 -8.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5792 -8.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2875 -8.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5792 -9.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -6.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4583 -7.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 -8.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -8.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -7.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -8.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -9.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -9.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -10.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 1 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 6 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 9 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 23 24 1 6 0 0 0 22 25 1 1 0 0 0 21 26 1 6 0 0 0 20 27 1 1 0 0 0 27 28 1 0 0 0 0 1 29 1 1 0 0 0 17 30 1 0 0 0 0 31 13 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 35 37 1 1 0 0 0 34 38 1 6 0 0 0 33 39 1 1 0 0 0 32 40 1 6 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 42 52 2 0 0 0 0 44 53 1 6 0 0 0 45 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 48 58 1 6 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 59 1 0 0 0 0 63 65 1 1 0 0 0 61 66 1 1 0 0 0 66 67 1 0 0 0 0 64 68 1 6 0 0 0 62 69 1 6 0 0 0 70 41 1 0 0 0 0 71 70 1 0 0 0 0 72 71 2 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 76 71 1 0 0 0 0 74 77 1 0 0 0 0 M END > CFN99228 > Oleonuezhenide > 112693-21-7 > 98% > C48H64O27 > 1073.0 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Oleonuezhenide-CFN99228.html $$$$ -ISIS- 10201511232D 51 54 0 0 0 0 0 0 0 0999 V2000 9.8042 -7.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8042 -7.9083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5500 -8.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2958 -7.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2958 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -6.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -7.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -9.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0667 -9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -9.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3250 -10.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0667 -10.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8042 -10.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0667 -11.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -9.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -10.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -10.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -6.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -5.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8042 -5.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -4.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0667 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -4.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3250 -5.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -3.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2875 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -5.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -2.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -8.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -6.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8083 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -5.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 3 8 1 1 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 11 8 1 1 0 0 0 15 17 1 1 0 0 0 13 18 1 1 0 0 0 16 19 1 6 0 0 0 14 20 1 6 0 0 0 18 21 1 0 0 0 0 1 22 1 1 0 0 0 7 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 34 38 2 0 0 0 0 37 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 37 1 0 0 0 0 41 44 1 0 0 0 0 2 9 1 0 0 0 0 2 45 1 1 0 0 0 27 46 1 6 0 0 0 23 47 1 1 0 0 0 6 48 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 G 48 6 COOCH3 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 48 49 50 51 M SBL 1 1 48 M SMT 1 COOCH3 M SBV 1 48 0.0000 -0.8600 M END > CFN97593 > Hydrangenoside A dimethyl acetal > 952485-00-6 > 98% > C33H46O14 > 666.72 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Hydrangenoside-A-dimethyl-acetal-CFN97593.html $$$$ -ISIS- 10201511232D 58 61 0 0 0 0 0 0 0 0999 V2000 8.0583 -8.4208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0583 -9.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7958 -9.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5375 -9.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -10.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -9.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 -7.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 -10.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -9.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -8.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -7.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3667 -7.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -9.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -6.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5833 -5.8583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8417 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -5.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -6.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -7.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -4.5792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0625 -4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3208 -2.8708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5792 -3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5792 -4.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0583 -10.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3167 -10.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 -10.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5792 -11.8375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3167 -12.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0583 -11.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8417 -2.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -10.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -13.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7958 -12.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -12.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -4.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8000 -2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -10.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -7.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -6.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -6.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -5.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 1 0 0 0 2 11 1 1 0 0 0 9 12 1 0 0 0 0 8 13 2 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 16 1 0 0 0 0 19 24 1 0 0 0 0 24 25 2 0 0 0 0 20 26 1 1 0 0 0 19 27 1 1 0 0 0 16 28 1 1 0 0 0 29 26 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 35 7 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 33 41 1 1 0 0 0 31 42 1 1 0 0 0 37 43 1 1 0 0 0 39 44 1 1 0 0 0 40 45 1 6 0 0 0 38 46 1 6 0 0 0 34 47 1 6 0 0 0 32 48 1 6 0 0 0 42 49 1 0 0 0 0 43 50 1 0 0 0 0 23 51 1 0 0 0 0 6 55 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 1 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 G 51 23 COOCH3 G 55 6 COOCH3 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 4 51 52 53 54 M SBL 1 1 47 M SMT 1 COOCH3 M SBV 1 47 0.7400 0.4200 M SAL 2 4 55 56 57 58 M SBL 2 1 48 M SMT 2 COOCH3 M SBV 2 48 0.0000 -0.8500 M END > CFN97737 > (E)-Aldosecologanin > 471271-55-3 > 98% > C34H46O19 > 758.73 > Powder > Iridoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/E-Aldosecologanin-CFN97737.html $$$$ -ISIS- 10201511232D 13 14 0 0 0 0 0 0 0 0999 V2000 7.2542 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -6.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > CFN98674 > Gentianine > 439-89-4 > 98% > C10H9NO2 > 175.2 > Powder > Iridoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Gentianine-CFN98674.html $$$$ -ISIS- 10201511232D 25 27 0 0 0 0 0 0 0 0999 V2000 7.2542 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0458 -6.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8375 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -8.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6708 -9.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -9.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2542 -9.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4625 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 2 0 0 0 0 7 11 2 0 0 0 0 3 12 1 1 0 0 0 2 13 1 6 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 12 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 M END > CFN98047 > Gentiopicroside > 20831-76-9 > 98% > C16H20O9 > 356.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Gentiopicroside-CFN98047.html $$$$ -ISIS- 10201511232D 36 39 0 0 0 0 0 0 0 0999 V2000 8.3167 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -6.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1083 -7.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9000 -6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -4.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -8.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -7.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -8.7708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5250 -8.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 -8.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7333 -9.6833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5250 -10.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3167 -9.6833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5250 -11.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -8.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 -10.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -10.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -8.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -8.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3833 -7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8000 -7.3958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8000 -8.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6042 -8.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0083 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -6.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 -6.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -9.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -5.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 2 0 0 0 0 7 11 2 0 0 0 0 3 12 1 1 0 0 0 2 13 1 6 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 15 12 1 1 0 0 0 19 21 1 1 0 0 0 17 22 1 1 0 0 0 20 23 1 6 0 0 0 18 24 1 6 0 0 0 22 25 1 0 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 30 32 1 1 0 0 0 28 33 1 1 0 0 0 29 34 1 6 0 0 0 31 35 1 6 0 0 0 33 36 1 0 0 0 0 M END > CFN90678 > 6'-O-beta-D-Glucosylgentiopicroside > 115713-06-9 > 98% > C22H30O14 > 518.47 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-beta-D-Glucosylgentiopicroside-CFN90678.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 16.8896 2.3385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8896 1.7385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4062 1.4385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9271 1.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9271 2.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4062 2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4062 3.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8896 3.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 3.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9271 3.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4062 0.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8896 2.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8479 1.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8896 0.5385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3687 0.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8479 0.5385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8479 -0.0615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3687 -0.3615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8896 -0.0615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3687 -0.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3313 0.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4062 -0.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3313 -0.3615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8104 0.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 7 11 2 0 0 0 0 3 12 1 1 0 0 0 1 13 1 1 0 0 0 2 14 1 6 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 16 12 1 1 0 0 0 20 22 1 1 0 0 0 18 23 1 1 0 0 0 21 24 1 6 0 0 0 19 25 1 6 0 0 0 23 26 1 0 0 0 0 M END > CFN99455 > Sweroside > 14215-86-2 > 98% > C16H22O9 > 358.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Sweroside-CFN99455.html $$$$ -ISIS- 10201511232D 35 38 0 0 0 0 0 0 0 0999 V2000 6.2500 -5.1625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2500 -6.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0417 -6.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8333 -6.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -7.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -6.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -7.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4583 -7.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -7.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6667 -8.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4583 -9.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2500 -8.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4583 -10.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -7.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -9.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -9.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -7.4458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1958 -6.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -7.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4583 -7.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2667 -8.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -7.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 7 11 2 0 0 0 0 3 12 1 1 0 0 0 1 13 1 1 0 0 0 2 14 1 6 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 16 12 1 1 0 0 0 20 22 1 1 0 0 0 18 23 1 1 0 0 0 21 24 1 6 0 0 0 19 25 1 6 0 0 0 23 26 1 0 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 27 1 0 0 0 0 31 32 1 6 0 0 0 30 33 1 6 0 0 0 30 34 1 1 0 0 0 34 35 1 0 0 0 0 M END > CFN90752 > 6'-O-beta-D-Apiofuranosylsweroside > 266678-59-5 > 98% > C21H30O13 > 490.5 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/6-O-beta-D-Apiofuranosylsweroside-CFN90752.html $$$$ -ISIS- 10201511232D 44 48 0 0 0 0 0 0 0 0999 V2000 7.3458 -9.3792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3458 -10.3083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1542 -10.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9542 -10.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -11.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -10.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -12.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5458 -11.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 -12.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7375 -13.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5458 -13.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3458 -13.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1542 -13.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -14.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -13.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -11.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -12.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -8.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -11.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1583 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -7.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 -7.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -7.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -13.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -13.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -12.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7625 -14.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5667 -14.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3708 -14.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3708 -13.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5667 -13.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5667 -12.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1750 -14.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -14.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -14.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -14.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -15.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -16.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 -15.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -17.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 1 0 0 0 7 9 2 0 0 0 0 10 8 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 15 16 1 6 0 0 0 14 17 1 1 0 0 0 13 18 1 6 0 0 0 12 19 1 1 0 0 0 19 20 1 0 0 0 0 1 21 1 1 0 0 0 2 22 1 1 0 0 0 6 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 23 1 0 0 0 0 23 27 2 0 0 0 0 16 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 29 1 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 0 31 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 42 44 1 0 0 0 0 M END > CFN90519 > Amarogentin > 21018-84-8 > 98% > C29H30O13 > 586.54 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Amarogentin-CFN90519.html $$$$ -ISIS- 10201511232D 26 28 0 0 0 0 0 0 0 0999 V2000 7.2542 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2542 -6.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0458 -6.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8375 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -8.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6708 -9.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -9.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2542 -9.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4625 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 7 11 2 0 0 0 0 3 12 1 1 0 0 0 1 13 1 1 0 0 0 2 14 1 6 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 16 12 1 1 0 0 0 20 22 1 1 0 0 0 18 23 1 1 0 0 0 21 24 1 6 0 0 0 19 25 1 6 0 0 0 23 26 1 0 0 0 0 M END > CFN99818 > Swertiamarin > 17388-39-5 > 98% > C16H22O10 > 374.3 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Swertiamarin-CFN99818.html $$$$ -ISIS- 10201511232D 28 30 0 0 0 0 0 0 0 0999 V2000 7.2542 -5.5083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2542 -6.4208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0458 -6.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8375 -6.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -4.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4625 -5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -6.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -8.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6708 -9.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4625 -9.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2542 -9.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4625 -10.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -9.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6708 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 7 11 2 0 0 0 0 3 12 1 1 0 0 0 1 13 1 1 0 0 0 2 14 1 6 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 16 12 1 1 0 0 0 20 22 1 1 0 0 0 18 23 1 1 0 0 0 21 24 1 6 0 0 0 19 25 1 6 0 0 0 23 26 1 0 0 0 0 9 27 1 1 0 0 0 27 28 1 0 0 0 0 M END > CFN99283 > Epivogeloside > 118627-52-4 > 98% > C17H24O10 > 388.4 > Powder > Iridoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Epivogeloside-CFN99283.html $$$$